3-Chloro-6-[2-(3-chloro-4-isopropoxy-phenyl)-ethyl]-6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-one → 6-[2-(3-Chloro-4-isopropoxy-phenyl)-ethyl]-3-(5-chloro-1-isopropyl-1H-benzoimidazol-2-ylsulfanyl)-6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-one

HRID 685538Notes

Reaction equation

HRID 685538 reaction equation
[Cl:1][C:2]1=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[O:4][C:3]1=[O:27].[Cl:28][C:29]1=[C:48]([OH:49])[CH2:47][C:33]([CH2:34][CH2:35][C:36]2=[CH:41][CH2:40][CH2:39][CH2:38][CH2:37]2)([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[O:32][C:30]1=[O:31].[Cl:50][c:51]1[cH:52][c:53]2[c:54]([n:55]([CH:59]([CH3:60])[CH3:61])[c:56]([SH:58])[n:57]2)[cH:62][cH:63]1.[n:64]1[cH:65][cH:66][c:67](-[c:68]2[nH:69][c:70]([SH:71])[n:72][n:73]2)[cH:74][cH:75]1>>[C:2]1([S:58][c:56]2[n:55]([CH:59]([CH3:60])[CH3:61])[c:54]3[c:53]([cH:52][c:51]([Cl:50])[cH:63][cH:62]3)[n:57]2)=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[O:4][C:3]1=[O:27]

Participants

5

Reactant 4

HCID 547203163-Chloro-6-[2-(3-chloro-4-isopropoxy-phenyl)-ethyl]-6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-oneHCID 575272693-Chloro-6-(2-cyclohex-1-enyl-ethyl)6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-oneHCID 178456613HCID 178456613, compoundHCID 1785279605-pyridin-4-yl-1H-1,2,4-triazole-3-thiol

Product 1

HCID 587624736-[2-(3-Chloro-4-isopropoxy-phenyl)-ethyl]-3-(5-chloro-1-isopropyl-1H-benzoimidazol-2-ylsulfanyl)-6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-one

Sources & evidence

ORD record
ord-7146782cdb8340a7ab3660072ff6b830
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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